CFam Chemical Families Database
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You are searching for "CFAMM00168404" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00168404
Family CFFCD687 GDC-0349 family
Superfamily CFSCD612 GDC-0349 Superfamily
Class CFCCD433 Class 1246
External ID CHEMBL1091711 External Source CHEMBL
PubChem CID 46884543 Functional Category Bioactive
Molecule Name SureCN1409360
IUPAC Name 1-[4-[4-[(3R)-3-methylmorpholin-4-yl]-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]phenyl]-3-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]urea
Synonyms CHEBI:720801
InChi InChI=1S/C34H45N9O3/c1-23(2)40-14-16-41(17-15-40)28-10-8-27(9-11-28)36-34(44)35-26-6-4-25(5-7-26)31-37-32(42-18-19-45-20-24(42)3)39-33(38-31)43-29-12-13-30(43)22-46-21-29/h4-11,23-24,29-30H,12-22H2,1-3H3,(H2,35,36,44)/t24-,29?,30?/m1/s1
InChiKey UTPMWUPXMZXWPP-URCVZGBWSA-N
Formula C34H45N9O3 Molecular Weight 627.78
Cross Link CHEMBL1091711
Structure

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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